N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine

C25H24N6S — CID 141009758

IUPACN-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCNCC4)cc3)cc2n1
InChIInChI=1S/C25H24N6S/c1-3-18(4-2-17(1)15-31-11-9-26-10-12-31)23-14-22-24(32-23)25(29-16-28-22)30-20-5-6-21-19(13-20)7-8-27-21/h1-8,13-14,16,26-27H,9-12,15H2,(H,28,29,30)
InChIKeyGYONFADMAAOBAB-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.99
Rot. Bonds5

About N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine

N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 141009758) has the molecular formula C25H24N6S and a molecular weight of 440.58 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID141009758
Molecular FormulaC25H24N6S
Molecular Weight440.58 g/mol
Exact Mass440.18
IUPAC NameN-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCNCC4)cc3)cc2n1
InChIInChI=1S/C25H24N6S/c1-3-18(4-2-17(1)15-31-11-9-26-10-12-31)23-14-22-24(32-23)25(29-16-28-22)30-20-5-6-21-19(13-20)7-8-27-21/h1-8,13-14,16,26-27H,9-12,15H2,(H,28,29,30)
InChIKeyGYONFADMAAOBAB-UHFFFAOYSA-N
XLogP4.99
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-[[4-[7-(1H-indol-5-ylamino)thieno[2,3-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol
CID 54281657
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 127034784
5-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]pentan-1-ol
CID 18383017
N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine
CID 69478254
3-[[6-[4-(piperidin-1-ylmethyl)thiophen-2-yl]thieno[3,2-d]pyrimidin-4-yl]amino]phenol
CID 54675741
3-[[6-[5-(piperazin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-yl]amino]phenol;2,2,2-trifluoroacetic acid
CID 89438660
2-[2-hydroxyethyl-[3-[[4-[7-(1H-indol-5-ylamino)thieno[2,3-c]pyridin-2-yl]phenyl]methylamino]propyl]amino]ethanol
CID 54046953
N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 89449345
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]thieno[3,2-d]pyrimidin-4-amine
CID 118969812
N-(3-ethenylphosphanyloxyphenyl)-6-[4-(pyrrolidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89451926

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine (CID 141009758) is N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine is c1nc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCNCC4)cc3)cc2n1.
What is the InChIKey of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GYONFADMAAOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6S/c1-3-18(4-2-17(1)15-31-11-9-26-10-12-31)23-14-22-24(32-23)25(29-16-28-22)30-20-5-6-21-19(13-20)7-8-27-21/h1-8,13-14,16,26-27H,9-12,15H2,(H,28,29,30).
What are the key properties of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 440.58 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 141009758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).